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Fenetylline HFB
SpectraBase Compound ID 3ciU99N3ebX
InChI InChI=1S/C22H22F7N5O3/c1-13(11-14-7-5-4-6-8-14)34(18(36)20(23,24)21(25,26)22(27,28)29)10-9-33-12-30-16-15(33)17(35)32(3)19(37)31(16)2/h4-8,12-13H,9-11H2,1-3H3
InChIKey SFDYVCJZASMOGM-UHFFFAOYSA-N
Mol Weight 537.44 g/mol
Molecular Formula C22H22F7N5O3
Exact Mass 537.161087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24OmG6j53w
Name Fenetylline HFB
Classification Stimulant
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Exact Mass 537.161086726 u
Formula C22H22F7N5O3
InChI InChI=1S/C22H22F7N5O3/c1-13(11-14-7-5-4-6-8-14)34(18(36)20(23,24)21(25,26)22(27,28)29)10-9-33-12-30-16-15(33)17(35)32(3)19(37)31(16)2/h4-8,12-13H,9-11H2,1-3H3
InChIKey SFDYVCJZASMOGM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 537.439 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CCN(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(Cc2ccccc2)C)cn1
SPLASH splash10-014l-9632300000-6cc1212aa4774ba401ab
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5054